SCHEMBL2883955

SCHEMBL2883955

C=C(C)C(=O)OCC1(C(C)(C)C)CCCO1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 3/20 0.36
THRB P10828 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11148390 0.82 ALDH1A1 (0.43) ALDH1A1TSHRTHRB
SCHEMBL2885251 0.81 TSHR (0.37) ALDH1A1TSHRTHRB
SCHEMBL5281867 0.78 ALDH1A1 (0.42) ALDH1A1TSHRTHRB
SCHEMBL2878361 0.76 ALDH1A1 (0.41) ALDH1A1TSHRTHRB
SCHEMBL246669 0.75 ALDH1A1 (0.40) ALDH1A1TSHRTHRB
SCHEMBL2882378 0.75 ALDH1A1 (0.40) ALDH1A1TSHRTHRB
SCHEMBL2885352 0.75 TSHR (0.38) ALDH1A1TSHRTHRB
SCHEMBL23501494 0.74 TSHR (0.39) ALDH1A1TSHRTHRB
SCHEMBL244937 0.73 ALDH1A1 (0.38) ALDH1A1TSHRTHRB
SCHEMBL2880677 0.73 TSHR (0.42) ALDH1A1TSHRTHRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759451-B2 Fumaric diester copolymer TOSOH CORPORATION (JP) 2010-07-20 US disclosed
US-20070298247-A1 Fumaric diester copolymer TOSOH CORPORATION (JP) 2007-12-27 US disclosed